SCHEMBL29623786

SCHEMBL29623786

COc1ncnc2ncn(-c3ccc(N)cc3)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PI4KA P42356 3/20 0.42
▸ PI4K2B Q8TCG2 3/20 0.42
▸ PI4K2A Q9BTU6 3/20 0.42
▸ PI4KB Q9UBF8 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ ESR1 P03372 1/20 0.36
▸ ADORA2A P29274 3/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ PDPK1 O15530 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ XDH P47989 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19350805 1.00 FGFR1 (0.45) FGFR1ALDH1A1SMN1; SMN2PI4KAPI4K2B
SCHEMBL19350816 0.87 ALDH1A1 (0.58) FGFR1ALDH1A1SMN1; SMN2PI4KAPI4K2B
SCHEMBL20627767 0.79 ALDH1A1 (0.39) FGFR1ALDH1A1SMN1; SMN2PI4KAPI4K2B
SCHEMBL18292152 0.77 PI4KA (0.62) FGFR1ALDH1A1SMN1; SMN2PI4KAPI4K2B
SCHEMBL19350813 0.77 PI4KA (0.62) FGFR1ALDH1A1SMN1; SMN2PI4KAPI4K2B
SCHEMBL29623632 0.77 ALDH1A1 (0.44) FGFR1ALDH1A1SMN1; SMN2MKNK1MKNK2
SCHEMBL20603935 0.77 ALDH1A1 (0.44) FGFR1ALDH1A1SMN1; SMN2MKNK1MKNK2
SCHEMBL20201232 0.72 PI4KA (0.49) FGFR1ALDH1A1SMN1; SMN2PI4KAPI4K2B
SCHEMBL5117930 0.68 ALDH1A1 (0.35) FGFR1ALDH1A1SMN1; SMN2PI4KAPI4K2B
SCHEMBL28663481 0.67 HPGD (0.52) ALDH1A1SMN1; SMN2PI4KAPI4K2BPI4K2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424924-B1 UREA COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF ANCUREALL PHARMACEUTICAL SHANGHAI CO LTD (CN) 2023-05-24 — — EP disclosed
CN-109071523-B Urea compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2022-05-31 — — CN disclosed
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